3-butyl-2-methyl-1-(2-methylbut-3-enyl)-6-methylidenepiperidine

C16H29N — CID 89197869

IUPAC3-butyl-2-methyl-1-(2-methylbut-3-enyl)-6-methylidenepiperidine
SMILESC=CC(C)CN1C(=C)CCC(CCCC)C1C
InChIInChI=1S/C16H29N/c1-6-8-9-16-11-10-14(4)17(15(16)5)12-13(3)7-2/h7,13,15-16H,2,4,6,8-12H2,1,3,5H3
InChIKeyFLWPRFMPATYZBL-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.61
Rot. Bonds6

About 3-butyl-2-methyl-1-(2-methylbut-3-enyl)-6-methylidenepiperidine

3-butyl-2-methyl-1-(2-methylbut-3-enyl)-6-methylidenepiperidine (PubChem CID 89197869) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 3-butyl-2-methyl-1-(2-methylbut-3-enyl)-6-methylidenepiperidine.

Molecular Properties

Compound Name3-butyl-2-methyl-1-(2-methylbut-3-enyl)-6-methylidenepiperidine
PubChem CID89197869
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name3-butyl-2-methyl-1-(2-methylbut-3-enyl)-6-methylidenepiperidine
SMILESC=CC(C)CN1C(=C)CCC(CCCC)C1C
InChIInChI=1S/C16H29N/c1-6-8-9-16-11-10-14(4)17(15(16)5)12-13(3)7-2/h7,13,15-16H,2,4,6,8-12H2,1,3,5H3
InChIKeyFLWPRFMPATYZBL-UHFFFAOYSA-N
XLogP4.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-methyl-1-(2-methylbut-3-enyl)-6-methylidenepiperidine?
The IUPAC name of 3-butyl-2-methyl-1-(2-methylbut-3-enyl)-6-methylidenepiperidine (CID 89197869) is 3-butyl-2-methyl-1-(2-methylbut-3-enyl)-6-methylidenepiperidine.
What is the SMILES notation for 3-butyl-2-methyl-1-(2-methylbut-3-enyl)-6-methylidenepiperidine?
The canonical SMILES for 3-butyl-2-methyl-1-(2-methylbut-3-enyl)-6-methylidenepiperidine is C=CC(C)CN1C(=C)CCC(CCCC)C1C.
What is the InChIKey of 3-butyl-2-methyl-1-(2-methylbut-3-enyl)-6-methylidenepiperidine?
The InChIKey is FLWPRFMPATYZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-6-8-9-16-11-10-14(4)17(15(16)5)12-13(3)7-2/h7,13,15-16H,2,4,6,8-12H2,1,3,5H3.
What are the key properties of 3-butyl-2-methyl-1-(2-methylbut-3-enyl)-6-methylidenepiperidine?
3-butyl-2-methyl-1-(2-methylbut-3-enyl)-6-methylidenepiperidine has a molecular weight of 235.41 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-methyl-1-(2-methylbut-3-enyl)-6-methylidenepiperidine is sourced from PubChem (CID 89197869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).